7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO2 — CID 64661217

IUPAC7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cccc2c1OC(CC)C2N
InChIInChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3
InChIKeyMGYRKIVAUAIUIY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.26
Rot. Bonds3

About 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661217) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661217
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cccc2c1OC(CC)C2N
InChIInChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3
InChIKeyMGYRKIVAUAIUIY-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 64661217) is 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCOc1cccc2c1OC(CC)C2N.
What is the InChIKey of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MGYRKIVAUAIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3.
What are the key properties of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).